%chk=000178871.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178871

0 1
 S    5.843500     -0.8101000     -0.1166000    
 O   -3.197600       2.073300     -0.3769000    
 O   -2.656900      -3.666200     -4.9199998E-02
 O   -4.400200      0.4572000      0.7176000    
 O   -4.301300      -2.073300      7.0900001E-02
 O    6.317700      -1.452900       1.101000    
 O    6.258300      -1.324100      -1.414500    
 N  -7.0600003E-02 -0.6474000      3.8899999E-02
 N  -0.7645000      -1.797600     -1.9000000E-03
 N    6.216700      0.8556000     -4.1800000E-02
 C  -0.8526000      0.4707000      0.1152000    
 C   -2.150800      1.3500000E-02  0.1242000    
 C    1.324400     -0.6858000      2.3000001E-03
 C  -0.3377000       1.817100      0.1713000    
 C   -2.034600      -1.387500      5.0500002E-02
 C    1.977800     -0.6435000      -1.221900    
 C    2.037900     -0.7660000       1.190200    
 C    4.098700     -0.7626000     -7.0799999E-02
 C    3.371800     -0.6820000      -1.258600    
 C    3.431700     -0.8044000       1.153700    
 C   -3.332300      0.8228000      0.1944000    
 C  -5.9000000E-02   2.405700       1.404700    
 C  -0.1192000       2.530600      -1.007300    
 C   -3.092500      -2.358600      2.7200000E-02
 C   0.4379000       3.708000       1.459800    
 C   0.3779000       3.832700     -0.9522000    
 C   0.6564000       4.421400      0.2814000    
 C   -4.341300       2.934400     -0.3419000    
 C   -3.661000      -4.686900     -7.5999998E-02
 C   -3.992100       4.245700      -1.012900    
 C   -2.986800      -6.039700     -0.1605000    
 H    1.422400     -0.5792000      -2.154000    
 H    1.529700     -0.7978000       2.150600    
 H    3.870500     -0.6414000      -2.222900    
 H    3.977600     -0.8602000       2.091200    
 H  -0.2241000       1.863200       2.332600    
 H  -0.3318000       2.086500      -1.976900    
 H   0.6547000       4.166400       2.420100    
 H   0.5475000       4.388600      -1.869700    
 H    1.043100       5.435300      0.3242000    
 H   -4.627900       3.115000      0.6999000    
 H   -5.172400       2.455800     -0.8713000    
 H    6.586900       1.299800     -0.8909000    
 H    6.629700       1.213100      0.8282000    
 H   -4.306700      -4.538600     -0.9485000    
 H   -4.263100      -4.628400      0.8373000    
 H   -4.846100       4.928500      -1.006200    
 H   -3.150500       4.726400     -0.5032000    
 H   -3.680900       4.077300      -2.049200    
 H   -2.322600      -6.193300      0.6965000    
 H   -2.365400      -6.105000      -1.059700    
 H   -3.726600      -6.844700     -0.1829000    


%chk=000178871-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178871

0 1
S 6.128452 -0.957849 -0.441976
O -3.522776 1.906317 -0.838134
O -2.694425 -3.467430 0.353720
O -4.179197 0.717208 1.057393
O -4.174915 -1.953548 -0.633612
O 6.487226 -2.538747 -0.287860
O 6.622503 -0.034334 -1.689640
N 0.079680 -0.430234 -0.040843
N -0.635841 -1.628067 -0.046946
N 6.742127 -0.138010 1.090708
C -0.760113 0.700304 -0.021497
C -2.072502 0.189478 -0.031141
C 1.509396 -0.519686 -0.131061
C -0.268235 2.085807 0.158508
C -1.941184 -1.241002 -0.034187
C 2.259674 0.465898 -0.819011
C 2.142590 -1.655295 0.433336
C 4.261895 -0.778506 -0.308242
C 3.660868 0.340323 -0.903864
C 3.541749 -1.789692 0.346975
C -3.349190 0.931032 0.145102
C 0.593501 2.398014 1.246210
C -0.660776 3.118286 -0.733337
C -3.051397 -2.221873 -0.142353
C 1.060559 3.715578 1.430604
C -0.186552 4.435395 -0.547087
C 0.675941 4.738553 0.531694
C -4.801296 2.684314 -0.749549
C -3.741082 -4.532858 0.236894
C -4.815019 3.645341 -1.933166
C -3.138369 -5.800381 0.831794
H 1.761764 1.312398 -1.296414
H 1.530366 -2.420869 0.915391
H 4.265511 1.071965 -1.448354
H 4.056609 -2.664130 0.756386
H 0.884004 1.612463 1.952504
H -1.335711 2.880620 -1.560251
H 1.718932 3.944529 2.275335
H -0.489419 5.223410 -1.245187
H 1.041947 5.761277 0.673844
H -4.821825 3.205561 0.224415
H -5.637785 1.963596 -0.774933
H 7.324131 0.668522 0.808283
H 7.263771 -0.842857 1.638586
H -4.001828 -4.644646 -0.831270
H -4.641476 -4.191568 0.778754
H -5.748972 4.236204 -1.922286
H -3.963358 4.346232 -1.885646
H -4.764946 3.094604 -2.887860
H -2.873747 -5.650186 1.892222
H -2.227945 -6.097280 0.284133
H -3.869611 -6.626781 0.768415


